N2-(4-azanylcyclohexyl)-9-cyclopentyl-N6-[4-(phenylmethyl)piperidin-1-yl]purine-2,6-diamine trihydrochloride

Systemtic Name: N2-(4-azanylcyclohexyl)-9-cyclopentyl-N6-[4-(phenylmethyl)piperidin-1-yl]purine-2,6-diamine trihydrochloride Openeye Name: N2-(4-aminocyclohexyl)-N6-(4-benzyl-1-piperidyl)-9-cyclopentyl-purine-2,6-diamine trihydrochloride CAS Name: N2-(4-aminocyclohexyl)-9-cyclopentyl-N6-[4-(phenylmethyl)-1-piperidinyl]purine-2,6-diamine trihydrochloride IUPAC Name: 2-N-(4-aminocyclohexyl)-6-N-(4-benzylpiperidin-1-yl)-9-cyclopentylpurine-2,6-diamine trihydrochloride Traditional Name: (4-aminocyclohexyl)-[6-[(4-benzylpiperidino)amino]-9-cyclopentyl-purin-2-yl]amine trihydrochloride Formula: C28H43Cl3N8 MolecularWeight: 598.05362

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C=NC3=C2N=C(N=C3NN4CCC(CC4)CC5=CC=CC=C5)NC6CCC(CC6)N.Cl.Cl.Cl

Isomeric SMILES

C1CCC(C1)N2C=NC3=C2N=C(N=C3NN4CCC(CC4)CC5=CC=CC=C5)NC6CCC(CC6)N.Cl.Cl.Cl

InChI

InChI=1S/C28H40N8.3ClH/c29-22-10-12-23(13-11-22)31-28-32-26(25-27(33-28)36(19-30-25)24-8-4-5-9-24)34-35-16-14-21(15-17-35)18-20-6-2-1-3-7-20;;;/h1-3,6-7,19,21-24H,4-5,8-18,29H2,(H2,31,32,33,34);3*1H